6,6-dimethyl-3-(2-methylpropylsulfanyl)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-(2-methylpropylsulfanyl)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-isobutylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-(2-methylpropylthio)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-(2-methylpropylsulfanyl)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(isobutylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C17H22N2OS2 MolecularWeight: 334.49938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C2C(=C(S1)C3=CC=NN3)CC(CC2=O)(C)C

Isomeric SMILES

CC(C)CSC1=C2C(=C(S1)C3=CC=NN3)CC(CC2=O)(C)C

InChI

InChI=1S/C17H22N2OS2/c1-10(2)9-21-16-14-11(7-17(3,4)8-13(14)20)15(22-16)12-5-6-18-19-12/h5-6,10H,7-9H2,1-4H3,(H,18,19)